Publications

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2015

Combined Use of Oligopeptides, Fragment Libraries, and Natural Compounds: A Comprehensive Approach To Sample the Druggability of Vascular Endothelial Growth Factor

ChemMedChem

N. Bayó-Puxan, R. Rodríguez-Mias, M. Goldflam, M. Kotev, S. Ciudad, C. J. Hipolito, M. Varese, H. Suga, R. Campos-Olivas, X. Barril, V. Guallar, M. Teixidó, J. García, and E. Giralt
New Monte Carlo Based Technique To Study DNA–Ligand Interactions

Journal of Chemical Theory and Computation

I. Cabeza de Vaca, M F. Lucas, and V. Guallar
Porphyrin Binding to Gun4 Protein, Facilitated by a Flexible Loop, Controls Metabolite Flow through the Chlorophyll Biosynthetic Pathway

The Journal of Biological Chemistry

J. Kopečná, I. Cabeza de Vaca, N. B. P. Adams, P. A. Davison, A. A. Brindley, N. C. Hunter, V. Guallar, and R. Sobotka
Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints

Structure

K. Edman, A. Hosseini, M. K. Bjursell, A. Aagaard, L. Wissler, A. Gunnarsson, T. Kaminski, C. Köhler, S. Bäckström, T. J. Jensen, A. Cavallin, U. Karlsson, E. Nilsson, D. Lecina, R. Takahashi, C. Grebner, S. Geschwindner, M. Lepistö, A. C. Hogner, and V. Guallar
A theoretical multiscale treatment of protein–protein electron transfer: The ferredoxin/ferredoxin-NADP+ reductase and flavodoxin/ferredoxin-NADP+ reductase systems

Biochimica et Biophysica Acta (BBA) - Bioenergetics

S. Saen-oon, I. Cabeza de Vaca, D. Masone, M. Medina, and V. Guallar
Improving the Oxidative Stability of a High Redox Potential Fungal Peroxidase by Rational Design

PLOs One

V. Sáez-Jiménez, S. Acebes, V. Guallar, A. T. Martínez, and F. J. Ruiz-Dueñas
Steroid hydroxylation by basidiomycete peroxygenases: A combined experimental and computational study

Applied and environmental microbiology

E. D. Babot, C. José, M. Cañellas, F. Sancho, F. Lucas, V. Guallar, L. Kalum, H. Lund, G. Gröbe, K. Scheibner, and
Unveiling Prolyl Oligopeptidase Ligand Migration by Comprehensive Computational Techniques

Biophysical journal

M. Kotev, D. Lecina, T. Tarragó, E. Giralt, and V. Guallar
Basidiomycete DyPs: Genomic diversity, structural‚Äìfunctional aspects, reaction mechanism and environmental significance

Archives of Biochemistry and Biophysics

D. Linde, F. J. Ruiz-Dueñas, E. Fernández-Fueyo, V. Guallar, K. E. Hammel, R. Pogni, and A. T. Mart√≠nez
Aromatic stacking interactions govern catalysis in aryl-alcohol oxidase

FEBS Journal

P. Ferreira, A. Hernández-Ortega, F. Lucas, J. Carro, B. Herguedas, K. W. Borrelli, V. Guallar, A. T. Martínez, and M. Medina

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